SCHEMBL7070906

SCHEMBL7070906

CCOC(=O)c1nc2cc(OC)ccc2n1CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
NLRP3 Q96P20 1/20 0.50
ATM Q13315 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RPS6KA5 O75582 1/20 0.44
ALOX15 P16050 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
ELANE P08246 1/20 0.43
GAA P10253 1/20 0.43
MAOB P27338 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7071552 0.84 TDP1 (0.48) TDP1MAPTNPC1ALDH1A1KDM4E
SCHEMBL7075007 0.78 ADORA3 (0.43) MAPTATMALDH1A1KDM4EHPGD
SCHEMBL7161309 0.74 KDM4E (0.48) MAPTNPC1NLRP3ALDH1A1KDM4E
SCHEMBL24054544 0.72 ALDH1A1 (0.58) MAPTATMALDH1A1KDM4EMEN1
SCHEMBL8297402 0.71 PTGS2 (0.59) MAPTATMALDH1A1KDM4EMEN1
SCHEMBL14364694 0.70 RPS6KA5 (0.78) MAPTATMMEN1KMT2ARPS6KA5
SCHEMBL29660209 0.70 KDM4E (0.46) TDP1MAPTNPC1NLRP3ATM
SCHEMBL18548622 0.70 KDM4E (0.46) TDP1MAPTNPC1NLRP3ATM
SCHEMBL26067835 0.70 TDP1 (0.61) TDP1MAPTNPC1NLRP3ALDH1A1
SCHEMBL6047783 0.70 CNR2 (0.46) TDP1MAPTALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216582-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY NIKOLAIDES NICHOLAS (US) 2003-11-20 US disclosed
EP-1263736-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY THE PROCTER & GAMBLE COMPANY (US) 2002-12-11 EP disclosed
WO-2001058878-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY THE PROCTER & GAMBLE COMPANY (US) 2001-08-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030216582-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY CBR3, BAK1, CBR1 TDP1 2178/4885MAPT 4871/4885NPC1 3881/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.